Summary

IMPPAT Phytochemical identifier: IMPHY015353

Phytochemical name: 3-Methylheptadecane

Synonymous chemical names:
3-methyl-heptadecane, 3-methylheptadecane

External chemical identifiers:
CID:94321, SureChEMBL:SCHEMBL1116287

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC(CC)C

InChI:
InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h18H,4-17H2,1-3H3

InChIKey:
HPDKJRSKBCPMIY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC))C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.619

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Chemical structure download